Table 6 Summarizing results for the demonstrated patRoon NTA workflow
Amount | ||
|---|---|---|
Features | Total found | 57,113 (mean 3808/sample) |
Feature groups | Raw dataset | 19,970 |
Replicate filters (1st passa) | 4719 (− 76%) | |
Blank filter | 2933 (− 85%) | |
Intensity filters | 964 (− 95%) | |
Replicate filters (2nd passa) | 678 (− 97%) | |
Suspects | Total found | 19 out of 20 |
Annotated | 19 | |
Formulae | Total candidates | 163 (mean 9/feature group) |
Correctly ranked 1st | 13 (68%) | |
Correctly ranked 1st–2nd | 16 (84%) | |
Correctly ranked 1st–5th | 17 (89%) | |
Compounds | Total candidates | 1017 (mean 54/feature group) |
Correctly ranked 1st | 17 (85%) | |
Correctly ranked 1st–2nd | 18 (90%) | |
Correctly ranked 1st–5th | 19 (100%) | |